Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y-Pd.

By Kirk A. Peterson, D. Figgen, Michael Dolg, H. Stoll. Journal of Chemical Physics, 2007

830 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Inorganic Chemistry

View Paper: https://www.semanticscholar.org/paper/f9a6e19fa86361ca84e1852a68049f1d2e915c73

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. Roberto Peverati
2. Donald G. Truhlar
3. Stefan Grimme
4. M. Head‐Gordon
5. Yan Zhao
6. Narbe Mardirossian
7. Lars Goerigk
8. Robert O. Jones

In Inorganic Chemistry

1. Donald G. Truhlar
2. Roberto Peverati

Citations in the corpus

• Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics (2012, methodology): “We used the MG3S basis set [96] for the main-group atoms and all molecules except FeC, for which we used the SDD+ 2fg [140] basis for Fe and the def2-QZVPP basis [130] for C; we used the cc-pVTZ-DK basis set [141] for the transition metal atoms.”